2-[(6-butyl-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidin-5-yl)sulfanyl]-N-(3-nitrophenyl)acetamide
Chemical Structure Depiction of
2-[(6-butyl-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidin-5-yl)sulfanyl]-N-(3-nitrophenyl)acetamide
2-[(6-butyl-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidin-5-yl)sulfanyl]-N-(3-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | G721-0204 |
| Compound Name: | 2-[(6-butyl-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidin-5-yl)sulfanyl]-N-(3-nitrophenyl)acetamide |
| Molecular Weight: | 457.51 |
| Molecular Formula: | C21 H23 N5 O5 S |
| Smiles: | CCCCc1cnc2c(C(N(C)C(N2C)=O)=O)c1SCC(Nc1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.051 |
| logD: | 4.0501 |
| logSw: | -4.0351 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.021 |
| InChI Key: | UFQWYSSUHQWRJL-UHFFFAOYSA-N |